5-[(dicyclohexylamino)methyl]-2-sulfanylidene-1H-pyrimidin-4-one

Modify Date: 2025-09-19 05:54:32

5-[(dicyclohexylamino)methyl]-2-sulfanylidene-1H-pyrimidin-4-one structure	Common Name	5-[(dicyclohexylamino)methyl]-2-sulfanylidene-1H-pyrimidin-4-one
	CAS Number	89665-71-4	Molecular Weight	321.48100
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₁₇H₂₇N₃OS	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

Name	5-[(dicyclohexylamino)methyl]-2-sulfanylidene-1H-pyrimidin-4-one

Molecular Formula	C₁₇H₂₇N₃OS
Molecular Weight	321.48100
Exact Mass	321.18700
PSA	88.05000
LogP	3.93830
InChIKey	CBCLPOVTEOQJIW-UHFFFAOYSA-N
SMILES	O=c1[nH]c(=S)[nH]cc1CN(C1CCCCC1)C1CCCCC1

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UW7393000

CHEMICAL NAME :: 4(1H)-Pyrimidinone, 5-((dicyclohexylamino)methyl)-2,3-dihydro-2-thioxo-

CAS REGISTRY NUMBER :: 89665-71-4

LAST UPDATED :: 199712

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C17-H27-N3-O-S

MOLECULAR WEIGHT :: 321.53

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Mammal - species unspecified

DOSE/DURATION :: 800 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: IJSIDW Indian Journal of Pharmaceutical Sciences. (Kalina, Santa Cruz (East), Bombay 400 029, India) V.40(2)- 1978- Volume(issue)/page/year: 45,199,1983

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